3-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one
TL;DR: 3-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one (CAS 3296-11-5) is a chemical compound with molecular formula C25H39NO2 and molecular weight 385.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(6S,8R,11S,14R,15R,16R)-6-(dimethylamino)-14-hydroxy-12,16-dimethyl-7-methylidene-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]ethanone
Also Known As: Cyclomicrobuxine, KST-1A0283, (3, A,5, A,9xi,10xi,14xi,16
| Molecular Formula | C25H39NO2 |
|---|---|
| Molecular Weight | 385.30 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.29807 |
| Heavy Atoms | 28 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 3296-11-5 |
|---|---|
| SMILES | CC(=O)[C@H]1[C@@H](CC2([C@@]1(CCC34[C@H]2CC[C@@H]5C3(C4)CC[C@@H](C5=C)N(C)C)C)C)O |
| InChIKey | GNRVDDAXIDKEFJ-QASJIEDTSA-N |
Product Overview
3-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one (CAS 3296-11-5), with molecular formula C25H39NO2 and molecular weight 385.30 g/mol. IUPAC: 1-[(6S,8R,11S,14R,15R,16R)-6-(dimethylamino)-14-hydroxy-12,16-dimethyl-7-methylidene-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]ethanone.
Chemical Property Profile of 3-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one
Property Insights of 3-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one
The XLogP value of 4.7 indicates that 3-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 3-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one?
The CAS number of 3-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one is 3296-11-5.
What is the molecular formula of 3-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one?
The molecular formula of 3-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one is C25H39NO2.
What is the molecular weight of 3-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one?
The molecular weight of 3-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one is 385.30 g/mol.
Where can I buy 3-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one?
You can request a quote for 3-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.